(2R,3R,4S,5R,6R)-4-[(3R)-3-hydroxyoct-1-enoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,5-triol
| Internal ID | 84275a14-2f26-4e90-8e99-bd60d5d49e6f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3R,4S,5R,6R)-4-[(3R)-3-hydroxyoct-1-enoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H34O11/c1-2-3-4-5-10(20)6-7-27-17-14(23)12(30-18(26)16(17)25)9-29-19-15(24)13(22)11(21)8-28-19/h6-7,10-26H,2-5,8-9H2,1H3/t10-,11-,12-,13+,14-,15-,16-,17+,18-,19+/m1/s1 |
| InChI Key | QYOHPKUFKYXMJH-RYMYJBDCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H34O11 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5R,6R)-4-[(3R)-3-hydroxyoct-1-enoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/80e84ef0-85a1-11ee-84be-955a7f4c218f.jpg "2D Structure of (2R,3R,4S,5R,6R)-4-[(3R)-3-hydroxyoct-1-enoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,5-triol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.86% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.14% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.37% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.71% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.27% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.99% | 85.14% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.98% | 85.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.99% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.04% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.16% | 94.73% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.94% | 82.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.67% | 91.81% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 86.63% | 80.33% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 86.52% | 96.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.50% | 98.03% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.16% | 97.29% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.06% | 97.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.85% | 92.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.65% | 92.50% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.37% | 93.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.23% | 95.89% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.12% | 92.32% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.73% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.66% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.82% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.26% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.70% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Acanthus montanus |
| PubChem | 162954537 |
| LOTUS | LTS0080066 |
| wikiData | Q105230291 |